(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-thione
Formula:C15H15NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-thione is a drug-like molecule.
| MolName | (3E)-3-(morpholin-4-ylmethylidene)-5-phenylfuran-2-thione |
| MolecularFormula | C15H15NO2S |
| Smiles | S=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1 |
| InChI | InChI=1S/C15H15NO2S/c19-15-13(11-16-6-8-17-9-7-16)10-14(18-15)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2 |
| InChIK | REVAYQWCWRHUCT-UHFFFAOYSA-N |
| TotalMolweight | 273.355 |
| Molweight | 273.355 |
| MonoisotopicMass | 273.082349 |
| CLogP | 1.3401 |
| CLogS | -2.758 |
| H Acceptors | 3 |
| TotalSurfaceArea | 213.73 |
| Relative PSA | 0.24119 |
| PolarSurfaceArea | 53.79 |
| Druglikeness | 1.4405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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